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Name	1,3-Benzenedisulfonicacid, sodium salt (1:2)	EINECS	212-606-4
CAS No.	831-59-4	Density	1.124 g/cm³
PSA	131.16000	LogP	1.65640
Solubility	Soluble in water( 663 g/L at 20°C).	Melting Point	N/A
Formula	C₆H₄Na₂O₆S₂	Boiling Point	N/A
Molecular Weight	282.206	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety	26-36	Risk Codes	36/37/38-20/21/22
Molecular Structure		Hazard Symbols	Xi,Xn
Synonyms	1,3-Benzenedisulfonicacid, disodium salt (9CI);m-Benzenedisulfonic acid, disodium salt (8CI);Disodium 1,3-benzenedisulfonate;Disodium benzene-1,3-disulfonic acid;Disodiumm-benzenedisulfonate;

1,3-Benzenedisulfonicacid, sodium salt (1:2) Synthetic route

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 585-47-7
benzene-1,3-disulfonyl chloride

Conditions

Conditions	Yield
With thionyl chloride for 0.333333h; Reagent/catalyst; Reflux;	96%
With phosphorus pentachloride at 90℃; for 16h;	76%
With thionyl chloride In N-methyl-acetamide; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; hexane	67%

: copper(II) choride dihydrate

: 74-79-3
L-arginine

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: trans-[copper(II)(L-arginine)2](1,3-benzenedisulfonate) hexahydrate

Conditions

Conditions	Yield
With CH3ONa In water stoich.; at room temp.; crysts. filtered; elem. anal.;	85%

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 36663-11-3
5-bromobenzene-1,3-disulfonic acid

Conditions

Conditions	Yield
With N-Bromosuccinimide; sulfuric acid at 20℃; for 12h;	83%

: bismuth (III) nitrate pentahydrate

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 6Bi(3+)*4O(2-)*4HO(1-)*3C6H4O6S2(2-)*10H2O

Conditions

Conditions	Yield
at 160℃; for 2h;	78%

: C42H28Br2CoN6(2+)*2ClO4(1-)*3C3H7NO

: 7732-18-5
water

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 2H2O*C42H28Br2CoN6(2+)*C6H4O6S2(2-)

Conditions

Conditions	Yield
In acetonitrile for 0.0833333h; Heating;	65%

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 2633-66-1
2-mesitylmagnesium bromide

: 103068-13-9
2,2'',4,4'',6,6''-hexamethyl-1,1':3',1''-terphenyl

Conditions

Conditions	Yield
With bis(tricyclohexylphosphine)nickel(II) dichloride In tetrahydrofuran at 60℃; for 48h; Sealed tube; Inert atmosphere;	54%

: 66-71-7
1,10-Phenanthroline

: copper(II) choride dihydrate

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: [Cu(1,10-phenanthroline)3](1,3-benzenedisulphonate)*7H2O

B: 1612761-14-4
[Cu(1,10-phenanthroline)2](1,3-benzenedisulphonate)

Conditions

Conditions	Yield
In ethanol; water for 0.5h; Reflux;	A 11% B 35%

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 62-53-3
aniline

: 5905-36-2
N,N'-diphenyl-m-phenylenediamine

Conditions

Conditions	Yield
With sodium; copper 1.) 180 deg C, 3 h, 2.) 230 deg C, 30 h;; Yield given. Multistep reaction;

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 3701-01-7
benzene-1,3-disulfonamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: PCl5 / 2 h 2: aq. NH3 View Scheme
Multi-step reaction with 2 steps 1: PCl5 / 2 h / 40 - 50 °C 2: 90 percent / NH3 / CHCl3 View Scheme
Multi-step reaction with 2 steps 1: PCl5 / 2 h 2: NH3 / CHCl3 View Scheme

: 831-59-4
1,3-benzenedisulfonic acid disodium salt

: 848408-54-8
N,N,N’,N’-tetrabromobenzene-1,3-disulfonamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: PCl5 / 2 h 2: aq. NH3 3: 90 percent / aq. NaOH; Br2 View Scheme
Multi-step reaction with 3 steps 1.1: PCl5 / 2 h / 40 - 50 °C 2.1: 90 percent / NH3 / CHCl3 3.1: aq. NaOH / 20 °C 3.2: 90 percent / Br2 / 6 h / 20 °C View Scheme
Multi-step reaction with 3 steps 1: PCl5 / 2 h 2: NH3 / CHCl3 3: 90 percent / aq. NaOH; Br2 View Scheme

1,3-Benzenedisulfonicacid, sodium salt (1:2) Specification

The 1,3-Benzenedisulfonicacid, sodium salt (1:2), with the CAS registry number 831-59-4, is also known as m-Benzenedisulfonic acid disodium salt. Its EINECS registry number is 212-606-4. This chemical's molecular formula is C₆H₄Na₂O₆S₂ and molecular weight is 282.2. What's more, both its IUPAC name and systematic name are the same which is called Disodium benzene-1,3-disulfonate. It should be kept in a cold and dry place.

Physical properties about 1,3-Benzenedisulfonicacid, sodium salt (1:2) are: (1) ACD/LogP: -0.26; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -4.76; (4) ACD/LogD (pH 7.4): -4.76; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 125.5 Å²; (13) Density: 1.124 g/cm³.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[Na+].O=S([O-])(=O)c1cccc(c1)S([O-])(=O)=O
(2) InChI: InChI=1/C6H6O6S2.2Na/c7-13(8,9)5-2-1-3-6(4-5)14(10,11)12;;/h1-4H,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2
(3) InChIKey: XWPWZOJBTOJEGW-NUQVWONBAK

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